2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide

C24H27N3O2 — CID 66843271

IUPAC2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)C(C)c1cccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-16(2)17(3)19-6-4-7-21(14-19)29-20-11-9-18(10-12-20)15-27-24(28)22-8-5-13-26-23(22)25/h4-14,16-17H,15H2,1-3H3,(H2,25,26)(H,27,28)
InChIKeyWEDBGSPGDGEGJZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.15
Rot. Bonds7

About 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide

2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843271) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843271
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)C(C)c1cccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-16(2)17(3)19-6-4-7-21(14-19)29-20-11-9-18(10-12-20)15-27-24(28)22-8-5-13-26-23(22)25/h4-14,16-17H,15H2,1-3H3,(H2,25,26)(H,27,28)
InChIKeyWEDBGSPGDGEGJZ-UHFFFAOYSA-N
XLogP5.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843132
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-6-fluoro-N-[[4-(3-pentan-3-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843737
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 87176373
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66843271) is 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is CC(C)C(C)c1cccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)c1.
What is the InChIKey of 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WEDBGSPGDGEGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16(2)17(3)19-6-4-7-21(14-19)29-20-11-9-18(10-12-20)15-27-24(28)22-8-5-13-26-23(22)25/h4-14,16-17H,15H2,1-3H3,(H2,25,26)(H,27,28).
What are the key properties of 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).